CAS 2243-98-3 | 1-Undecyne | CAS Number 2243-98-3

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2243-98-3 | 1-Undecyne

CAS No: 2243-98-3 Catalog No: AG003EO6 MDL No:MFCD00015063

Product Description

Catalog Number:

AG003EO6

Chemical Name:

1-Undecyne

CAS Number:

2243-98-3

Molecular Formula:

C11H20

Molecular Weight:

152.2765

MDL Number:

MFCD00015063

IUPAC Name:

undec-1-yne

InChI:

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3

InChI Key:

YVSFLVNWJIEJRV-UHFFFAOYSA-N

SMILES:

CCCCCCCCCC#C

EC Number:

218-825-1

UNII:

Y07U3Q24US

NSC Number:

87633

Properties

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.281g/mol

Monoisotopic Mass:

152.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1

Literature

Title	Journal
Unimolecular dissociation of anthracene and acridine cations: the importance of isomerization barriers for the C2H2 loss and HCN loss channels.	The Journal of chemical physics 20110828
Improvement of antifungal activity of 10-undecyn-1-ol by inclusion complexation with cyclodextrin derivatives.	Journal of agricultural and food chemistry 20080528
GM3, GM2 and GM1 mimics designed for biosensing: chemoenzymatic synthesis, target affinities and 900 MHz NMR analysis.	Carbohydrate research 20080317